SCHEMBL14650514

SCHEMBL14650514

COCCOCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CCCCc1ccccc1)C5=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 3/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ RAB9A P51151 3/20 0.39
▸ STAT3 P40763 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.35
▸ PKM P14618 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.35
▸ TOP2A P11388 1/20 0.35
▸ TERT O14746 2/20 0.34
▸ APP P05067 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ FAAH O00519 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14650527 0.95 CYP1B1 (0.40) CYP1B1TDP1L3MBTL1RAB9ASTAT3
SCHEMBL14650517 0.90 STAT3 (0.42) RAB9ASTAT3HIF1AALDH1A1MEN1
SCHEMBL14650509 0.90 STAT3 (0.42) RAB9ASTAT3HIF1AALDH1A1MEN1
SCHEMBL14650522 0.89 MEN1 (0.38) CYP1B1TDP1ALDH1A1MAPTMEN1
SCHEMBL14650548 0.88 STAT3 (0.41) TDP1L3MBTL1RAB9ASTAT3HIF1A
SCHEMBL14650543 0.88 STAT3 (0.41) TDP1L3MBTL1RAB9ASTAT3HIF1A
SCHEMBL14650516 0.87 STAT3 (0.40) TDP1L3MBTL1RAB9ASTAT3HIF1A
SCHEMBL14650520 0.87 STAT3 (0.40) TDP1L3MBTL1RAB9ASTAT3HIF1A
SCHEMBL14650529 0.87 STAT3 (0.40) TDP1L3MBTL1RAB9ASTAT3HIF1A
SCHEMBL14650537 0.87 STAT3 (0.40) TDP1L3MBTL1RAB9ASTAT3HIF1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051468-B2 Dyes for polymer coloration, their preparation and their use CLARIANT INTERNATIONAL LTD (CH) 2015-06-09 — — US disclosed
US-20130019415-A1 DYES FOR POLYMER COLORATION, THEIR PREPARATION AND THEIR USE DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2013-01-24 — — US disclosed
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